AFP-464

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: 73JNH95XPX

Structure
InChI Key FGBVBMVABCVDKQ-CKUXDGONSA-N
Smile CS(=O)(=O)O.CS(=O)(=O)O.Cc1c(F)c(N)c2c(=O)cc(-c3ccc(NC(=O)[C@@H](N)CCCCCCN)c(F)c3)oc2c1F
InChI
InChI=1S/C24H27F3N4O3.2CH4O3S/c1-12-20(26)22(30)19-17(32)11-18(34-23(19)21(12)27)13-7-8-16(14(25)10-13)31-24(33)15(29)6-4-2-3-5-9-28;2*1-5(2,3)4/h7-8,10-11,15H,2-6,9,28-30H2,1H3,(H,31,33);2*1H3,(H,2,3,4)/t15-;;/m0../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H35F3N4O9S2
Molecular Weight 668.71
AlogP 3.94
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 9.0
Polar Surface Area 137.37
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 34.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Breast Neoplasms 2 D001943 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4802131
FDA SRS 73JNH95XPX
CONTENTS